(E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine

C8H17NO — CID 107899174

IUPAC(E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
SMILESC/C=C/CNOC(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-7-9-10-8(2,3)4/h5-6,9H,7H2,1-4H3/b6-5+
InChIKeyGNRCUTCCEVESNG-AATRIKPKSA-N
MW143.23 g/mol
LogP1.88
Rot. Bonds3

About (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine

(E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine (PubChem CID 107899174) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
PubChem CID107899174
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
SMILESC/C=C/CNOC(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-7-9-10-8(2,3)4/h5-6,9H,7H2,1-4H3/b6-5+
InChIKeyGNRCUTCCEVESNG-AATRIKPKSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The IUPAC name of (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine (CID 107899174) is (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The canonical SMILES for (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine is C/C=C/CNOC(C)(C)C.
What is the InChIKey of (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
The InChIKey is GNRCUTCCEVESNG-AATRIKPKSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-7-9-10-8(2,3)4/h5-6,9H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine?
(E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine is sourced from PubChem (CID 107899174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).